TL;DR: 2-(6,8-Dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl N,N-dimethylglycinate (CAS 110022-73-6) is a chemical compound with molecular formula C15H17Br2N3O3 and molecular weight 444.96368 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-(dimethylamino)acetate
Also Known As: N,N-Dimethylglycine 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester, Glycine, N,N-dimethyl-, 2-(6,8-dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)ethyl ester, 2-(6,8-Dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl N,N-dimethylglycinate, 2-(6,8-dibromo-2-methyl-4-oxoquinazolin-3-yl)ethyl 2-(dimethylamino)acetate
| Molecular Formula | C15H17Br2N3O3 |
| Molecular Weight | 444.96368 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 62.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.96368 Da |
| Heavy Atoms | 23 |
| Complexity | 498.0 |
| SMILES | CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1CCOC(=O)CN(C)C |
| InChIKey | VZQCKRHNNLWQOU-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6,8-Dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl N,N-dimethylglycinate. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6,8-Dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl N,N-dimethylglycinate. Following Lipinski's Rule of Five, 2-(6,8-Dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl N,N-dimethylglycinate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(6,8-Dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl N,N-dimethylglycinate is 110022-73-6.
The molecular formula of 2-(6,8-Dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl N,N-dimethylglycinate is C15H17Br2N3O3.
The molecular weight of 2-(6,8-Dibromo-2-methyl-4-oxoquinazolin-3(4H)-yl)ethyl N,N-dimethylglycinate is 444.96368 g/mol.
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